SCHEMBL746897

SCHEMBL746897

CCOc1ccccc1C1SCC(=O)N1Cc1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HCRTR2 O43614 3/20 0.45
HCRTR1 O43613 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
KCNA5 P22460 2/20 0.44
HTR7 P34969 1/20 0.43
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1B Q00975 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL746319 0.94 MEN1 (0.51) MEN1KMT2AHCRTR2HCRTR1ALDH1A1
SCHEMBL744020 0.91 ALDH1A1 (0.51) MEN1KMT2AHCRTR2HCRTR1ALDH1A1
SCHEMBL746074 0.90 MEN1 (0.48) MEN1KMT2AHCRTR2HCRTR1ALDH1A1
SCHEMBL743620 0.89 HCRTR2 (0.46) HCRTR2HCRTR1POLBMAPTUSP2
SCHEMBL745980 0.89 HCRTR2 (0.47) MEN1KMT2AHCRTR2HCRTR1ALDH1A1
SCHEMBL745132 0.89 MEN1 (0.48) MEN1KMT2AHCRTR2HCRTR1ALDH1A1
SCHEMBL746037 0.88 MEN1 (0.56) MEN1KMT2AHCRTR2HCRTR1HTR7
SCHEMBL747010 0.88 MEN1 (0.47) MEN1KMT2AHCRTR2HCRTR1ALDH1A1
SCHEMBL744887 0.87 HCRTR2 (0.52) MEN1KMT2AHCRTR2HCRTR1THRB
SCHEMBL744301 0.87 MEN1 (0.45) MEN1KMT2AHCRTR2HCRTR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 US claimed
EP-2429523-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP claimed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO claimed
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 US disclosed
EP-2429523-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY4R MEN1 1209/4885KMT2A 2161/4885HCRTR2 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.